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Compound Detail

CHEMBL4116086

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CN1CCN(CCNC(=O)COc2ccc3oc4c(NCCN5CCN(C)CC5)c5ccccc5[n+](C)c4c3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116086
Phase Preclinical
Structure Type MOL
InChI Key DBBNBMUNWGJUOJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

574.8
MW (Da)
1.97
ALogP
8
HBA
2
HBD
80.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H44N7O3+
MW 574.75
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine